1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine

C15H15F3N2 — CID 155032671

IUPAC1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
SMILESCNc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H15F3N2/c1-19-13-6-8-14(9-7-13)20-10-11-2-4-12(5-3-11)15(16,17)18/h2-9,19-20H,10H2,1H3
InChIKeySRUUFNDSKHLBKV-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.36
Rot. Bonds4

About 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine

1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine (PubChem CID 155032671) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
PubChem CID155032671
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
SMILESCNc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H15F3N2/c1-19-13-6-8-14(9-7-13)20-10-11-2-4-12(5-3-11)15(16,17)18/h2-9,19-20H,10H2,1H3
InChIKeySRUUFNDSKHLBKV-UHFFFAOYSA-N
XLogP4.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine
CID 104534362
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CID 143206265
N-[(4-nitrophenyl)methyl]-4-(trifluoromethyl)aniline
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N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline
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N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 65022462
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol
CID 63046192
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine (CID 155032671) is 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine is CNc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine?
The InChIKey is SRUUFNDSKHLBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-19-13-6-8-14(9-7-13)20-10-11-2-4-12(5-3-11)15(16,17)18/h2-9,19-20H,10H2,1H3.
What are the key properties of 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine?
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine has a molecular weight of 280.29 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine is sourced from PubChem (CID 155032671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).